6-(2-chlorophenyl)-2-[(3S)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-7-prop-2-enylimidazo[1,2-a]pyrazin-8-one

C22H23ClN4O3 — CID 95870845

IUPAC6-(2-chlorophenyl)-2-[(3S)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-7-prop-2-enylimidazo[1,2-a]pyrazin-8-one
SMILESC=CCn1c(-c2ccccc2Cl)cn2cc(C(=O)N3CC[C@H](COC)C3)nc2c1=O
InChIInChI=1S/C22H23ClN4O3/c1-3-9-27-19(16-6-4-5-7-17(16)23)13-26-12-18(24-20(26)22(27)29)21(28)25-10-8-15(11-25)14-30-2/h3-7,12-13,15H,1,8-11,14H2,2H3/t15-/m0/s1
InChIKeyDQPFYHUTYMGRKC-HNNXBMFYSA-N
MW426.90 g/mol
LogP3.11
Rot. Bonds6

About 6-(2-chlorophenyl)-2-[(3S)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-7-prop-2-enylimidazo[1,2-a]pyrazin-8-one

6-(2-chlorophenyl)-2-[(3S)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-7-prop-2-enylimidazo[1,2-a]pyrazin-8-one (PubChem CID 95870845) has the molecular formula C22H23ClN4O3 and a molecular weight of 426.90 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-2-[(3S)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-7-prop-2-enylimidazo[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name6-(2-chlorophenyl)-2-[(3S)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-7-prop-2-enylimidazo[1,2-a]pyrazin-8-one
PubChem CID95870845
Molecular FormulaC22H23ClN4O3
Molecular Weight426.90 g/mol
Exact Mass426.15
IUPAC Name6-(2-chlorophenyl)-2-[(3S)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-7-prop-2-enylimidazo[1,2-a]pyrazin-8-one
SMILESC=CCn1c(-c2ccccc2Cl)cn2cc(C(=O)N3CC[C@H](COC)C3)nc2c1=O
InChIInChI=1S/C22H23ClN4O3/c1-3-9-27-19(16-6-4-5-7-17(16)23)13-26-12-18(24-20(26)22(27)29)21(28)25-10-8-15(11-25)14-30-2/h3-7,12-13,15H,1,8-11,14H2,2H3/t15-/m0/s1
InChIKeyDQPFYHUTYMGRKC-HNNXBMFYSA-N
XLogP3.11
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.90
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-(2-chlorophenyl)-2-[(3S)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-7-prop-2-enylimidazo[1,2-a]pyrazin-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2-chlorophenyl)-2-[(2R)-2-ethylpyrrolidine-1-carbonyl]-7-prop-2-enylimidazo[1,2-a]pyrazin-8-one
CID 95869993
6-(2-chlorophenyl)-7-(cyclopropylmethyl)-2-(3-hydroxyazetidine-1-carbonyl)imidazo[1,2-a]pyrazin-8-one
CID 70761174
6-(2-chlorophenyl)-N-[(2R)-2-hydroxybutyl]-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide
CID 95880903
6-(2-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide
CID 70773915
6-(2-chlorophenyl)-N-(3-methoxypropyl)-7-methyl-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide
CID 70719628
6-(2,5-dimethylfuran-3-yl)-2-(3-hydroxyazetidine-1-carbonyl)-7-(3-methylbut-2-enyl)imidazo[1,2-a]pyrazin-8-one
CID 70721215
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119539864
6-(2,5-dimethylfuran-3-yl)-N-[(2R)-2-hydroxypropyl]-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide
CID 95871310
6-(3-chlorophenyl)-N-(2-hydroxyethyl)-8-oxo-7-prop-2-enylimidazo[1,2-a]pyrazine-2-carboxamide
CID 70717371
2-[(3R)-3-aminopyrrolidine-1-carbonyl]-6-(2,5-dimethylfuran-3-yl)-7-methylimidazo[1,2-a]pyrazin-8-one
CID 95895991
9H-fluoren-9-yl-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 91789060
6-(2-chlorophenyl)-7-methyl-N-(2-methylbutyl)-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide
CID 70729541

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-2-[(3S)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-7-prop-2-enylimidazo[1,2-a]pyrazin-8-one?
The IUPAC name of 6-(2-chlorophenyl)-2-[(3S)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-7-prop-2-enylimidazo[1,2-a]pyrazin-8-one (CID 95870845) is 6-(2-chlorophenyl)-2-[(3S)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-7-prop-2-enylimidazo[1,2-a]pyrazin-8-one.
What is the SMILES notation for 6-(2-chlorophenyl)-2-[(3S)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-7-prop-2-enylimidazo[1,2-a]pyrazin-8-one?
The canonical SMILES for 6-(2-chlorophenyl)-2-[(3S)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-7-prop-2-enylimidazo[1,2-a]pyrazin-8-one is C=CCn1c(-c2ccccc2Cl)cn2cc(C(=O)N3CC[C@H](COC)C3)nc2c1=O.
What is the InChIKey of 6-(2-chlorophenyl)-2-[(3S)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-7-prop-2-enylimidazo[1,2-a]pyrazin-8-one?
The InChIKey is DQPFYHUTYMGRKC-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H23ClN4O3/c1-3-9-27-19(16-6-4-5-7-17(16)23)13-26-12-18(24-20(26)22(27)29)21(28)25-10-8-15(11-25)14-30-2/h3-7,12-13,15H,1,8-11,14H2,2H3/t15-/m0/s1.
What are the key properties of 6-(2-chlorophenyl)-2-[(3S)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-7-prop-2-enylimidazo[1,2-a]pyrazin-8-one?
6-(2-chlorophenyl)-2-[(3S)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-7-prop-2-enylimidazo[1,2-a]pyrazin-8-one has a molecular weight of 426.90 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-2-[(3S)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-7-prop-2-enylimidazo[1,2-a]pyrazin-8-one is sourced from PubChem (CID 95870845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).